[2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate

C20H24N2O4 — CID 2613807

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCc1ccco1)NC1CCCCC1
InChIInChI=1S/C20H24N2O4/c23-19(22-15-7-2-1-3-8-15)14-26-20(24)17-10-4-5-11-18(17)21-13-16-9-6-12-25-16/h4-6,9-12,15,21H,1-3,7-8,13-14H2,(H,22,23)
InChIKeyMROCLSBNMIIEAB-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.50
Rot. Bonds7

About [2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate

[2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate (PubChem CID 2613807) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
PubChem CID2613807
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCc1ccco1)NC1CCCCC1
InChIInChI=1S/C20H24N2O4/c23-19(22-15-7-2-1-3-8-15)14-26-20(24)17-10-4-5-11-18(17)21-13-16-9-6-12-25-16/h4-6,9-12,15,21H,1-3,7-8,13-14H2,(H,22,23)
InChIKeyMROCLSBNMIIEAB-UHFFFAOYSA-N
XLogP3.50
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 27315400
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 24530175
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
[2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671223
(2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate
CID 2613781
[2-(cyclohexylamino)-2-oxoethyl] 2-(butylamino)benzoate
CID 2613877
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613697
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 42968380
[2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7149879
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7602503
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 18075616
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 18075738

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate (CID 2613807) is [2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate is O=C(COC(=O)c1ccccc1NCc1ccco1)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The InChIKey is MROCLSBNMIIEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-19(22-15-7-2-1-3-8-15)14-26-20(24)17-10-4-5-11-18(17)21-13-16-9-6-12-25-16/h4-6,9-12,15,21H,1-3,7-8,13-14H2,(H,22,23).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
[2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate has a molecular weight of 356.42 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate is sourced from PubChem (CID 2613807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).